2-[[2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetyl]amino]acetic acid

C9H13N3O5S — CID 43465288

IUPAC2-[[2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)CN1CSCC1=O
InChIInChI=1S/C9H13N3O5S/c13-6(11-2-9(16)17)1-10-7(14)3-12-5-18-4-8(12)15/h1-5H2,(H,10,14)(H,11,13)(H,16,17)
InChIKeyLJHJBMBICWODQA-UHFFFAOYSA-N
MW275.29 g/mol
LogP-2.16
Rot. Bonds6

About 2-[[2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetyl]amino]acetic acid

2-[[2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetyl]amino]acetic acid (PubChem CID 43465288) has the molecular formula C9H13N3O5S and a molecular weight of 275.29 g/mol. Its IUPAC name is 2-[[2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetyl]amino]acetic acid
PubChem CID43465288
Molecular FormulaC9H13N3O5S
Molecular Weight275.29 g/mol
Exact Mass275.06
IUPAC Name2-[[2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)CN1CSCC1=O
InChIInChI=1S/C9H13N3O5S/c13-6(11-2-9(16)17)1-10-7(14)3-12-5-18-4-8(12)15/h1-5H2,(H,10,14)(H,11,13)(H,16,17)
InChIKeyLJHJBMBICWODQA-UHFFFAOYSA-N
XLogP-2.16
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 5-2.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetyl]amino]acetic acid (CID 43465288) is 2-[[2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetyl]amino]acetic acid is O=C(O)CNC(=O)CNC(=O)CN1CSCC1=O.
What is the InChIKey of 2-[[2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetyl]amino]acetic acid?
The InChIKey is LJHJBMBICWODQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O5S/c13-6(11-2-9(16)17)1-10-7(14)3-12-5-18-4-8(12)15/h1-5H2,(H,10,14)(H,11,13)(H,16,17).
What are the key properties of 2-[[2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetyl]amino]acetic acid?
2-[[2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetyl]amino]acetic acid has a molecular weight of 275.29 g/mol, XLogP of -2.16, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetyl]amino]acetic acid is sourced from PubChem (CID 43465288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).